1,2,5,6-tetramethylpyrimidine-4-thione

C8H12N2S — CID 156628600

IUPAC1,2,5,6-tetramethylpyrimidine-4-thione
SMILESCc1c(C)n(C)c(C)nc1=S
InChIInChI=1S/C8H12N2S/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3
InChIKeyLEOUVOCPVXFIHW-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.07
Rot. Bonds

About 1,2,5,6-tetramethylpyrimidine-4-thione

1,2,5,6-tetramethylpyrimidine-4-thione (PubChem CID 156628600) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1,2,5,6-tetramethylpyrimidine-4-thione.

Molecular Properties

Compound Name1,2,5,6-tetramethylpyrimidine-4-thione
PubChem CID156628600
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1,2,5,6-tetramethylpyrimidine-4-thione
SMILESCc1c(C)n(C)c(C)nc1=S
InChIInChI=1S/C8H12N2S/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3
InChIKeyLEOUVOCPVXFIHW-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,5,6-Trimethyl-3-propan-2-ylpyrimidine-4-thione
CID 117733729
2,3,5,6-tetramethyl-4H-pyrimidine
CID 141440506
2-[(dimethylamino)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476734

Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetramethylpyrimidine-4-thione?
The IUPAC name of 1,2,5,6-tetramethylpyrimidine-4-thione (CID 156628600) is 1,2,5,6-tetramethylpyrimidine-4-thione.
What is the SMILES notation for 1,2,5,6-tetramethylpyrimidine-4-thione?
The canonical SMILES for 1,2,5,6-tetramethylpyrimidine-4-thione is Cc1c(C)n(C)c(C)nc1=S.
What is the InChIKey of 1,2,5,6-tetramethylpyrimidine-4-thione?
The InChIKey is LEOUVOCPVXFIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-6(2)10(4)7(3)9-8(5)11/h1-4H3.
What are the key properties of 1,2,5,6-tetramethylpyrimidine-4-thione?
1,2,5,6-tetramethylpyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetramethylpyrimidine-4-thione is sourced from PubChem (CID 156628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).